1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride

C17H28Cl2N4O2 — CID 120503103

IUPAC1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)C(C)C(C)N)C2)n1.Cl.Cl
InChIInChI=1S/C17H26N4O2.2ClH/c1-11-6-4-8-15(19-11)20-16(22)14-7-5-9-21(10-14)17(23)12(2)13(3)18;;/h4,6,8,12-14H,5,7,9-10,18H2,1-3H3,(H,19,20,22);2*1H
InChIKeyRAXNJVZMXJZZQZ-UHFFFAOYSA-N
MW391.34 g/mol
LogP2.39
Rot. Bonds4

About 1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride

1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 120503103) has the molecular formula C17H28Cl2N4O2 and a molecular weight of 391.34 g/mol. Its IUPAC name is 1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID120503103
Molecular FormulaC17H28Cl2N4O2
Molecular Weight391.34 g/mol
Exact Mass390.16
IUPAC Name1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)C(C)C(C)N)C2)n1.Cl.Cl
InChIInChI=1S/C17H26N4O2.2ClH/c1-11-6-4-8-15(19-11)20-16(22)14-7-5-9-21(10-14)17(23)12(2)13(3)18;;/h4,6,8,12-14H,5,7,9-10,18H2,1-3H3,(H,19,20,22);2*1H
InChIKeyRAXNJVZMXJZZQZ-UHFFFAOYSA-N
XLogP2.39
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
CID 95141951
1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 119953217
1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855077
(3R)-1-[(2R)-1-amino-1-oxopropan-2-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 124818575
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
N-(6-methyl-2-pyridinyl)-1-(piperidine-4-carbonyl)piperidine-3-carboxamide
CID 119855048
1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-4-carboxamide
CID 94821290
1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 120643620
(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638745
1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855073

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of 1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride (CID 120503103) is 1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride is Cc1cccc(NC(=O)C2CCCN(C(=O)C(C)C(C)N)C2)n1.Cl.Cl.
What is the InChIKey of 1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is RAXNJVZMXJZZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.2ClH/c1-11-6-4-8-15(19-11)20-16(22)14-7-5-9-21(10-14)17(23)12(2)13(3)18;;/h4,6,8,12-14H,5,7,9-10,18H2,1-3H3,(H,19,20,22);2*1H.
What are the key properties of 1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 391.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120503103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).